4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde

C13H14N2OS2 — CID 62766605

About 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde

4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62766605) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

• Compound Name: 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde
• PubChem CID: 62766605
• Molecular Formula: C13H14N2OS2
• Molecular Weight: 278.40 g/mol
• Exact Mass: 278.05
• IUPAC Name: 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde
• SMILES: Cc1nc(N2CCc3sccc3C2C)sc1C=O
• InChI: InChI=1S/C13H14N2OS2/c1-8-12(7-16)18-13(14-8)15-5-3-11-10(9(15)2)4-6-17-11/h4,6-7,9H,3,5H2,1-2H3
• InChIKey: UFQNKUSWMAFNPS-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 33.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.40
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde?

The IUPAC name of 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde (CID 62766605) is 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde.

What is the SMILES notation for 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde?

The canonical SMILES for 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde is Cc1nc(N2CCc3sccc3C2C)sc1C=O.

What is the InChIKey of 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde?

The InChIKey is UFQNKUSWMAFNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-8-12(7-16)18-13(14-8)15-5-3-11-10(9(15)2)4-6-17-11/h4,6-7,9H,3,5H2,1-2H3.

What are the key properties of 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde?

4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 278.40 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62766605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).